4-methoxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole

C13H10F3NO2 — CID 174619265

IUPAC4-methoxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
SMILESCOc1coc(/C=C/c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H10F3NO2/c1-18-12-8-19-11(17-12)7-4-9-2-5-10(6-3-9)13(14,15)16/h2-8H,1H3/b7-4+
InChIKeyXVSOHDWJRBXNKC-QPJJXVBHSA-N
MW269.22 g/mol
LogP3.87
Rot. Bonds3

About 4-methoxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole

4-methoxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole (PubChem CID 174619265) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 4-methoxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-methoxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
PubChem CID174619265
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name4-methoxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
SMILESCOc1coc(/C=C/c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H10F3NO2/c1-18-12-8-19-11(17-12)7-4-9-2-5-10(6-3-9)13(14,15)16/h2-8H,1H3/b7-4+
InChIKeyXVSOHDWJRBXNKC-QPJJXVBHSA-N
XLogP3.87
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl methanesulfonate
CID 12992848
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
1-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butan-1-ol
CID 175956053
4-fluoro-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline
CID 156768720
6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline
CID 166708097
tert-butyl N-[2-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]ethyl]carbamate
CID 91992024
CID 177399208
CID 177399208
2-chloro-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline
CID 156768717
2-[[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]ethanol
CID 139970335
2-hydroxy-3-methoxy-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 139552593
4-[2-[4-(3-pyrimidin-5-ylpropoxy)phenyl]ethyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
CID 139970300
1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 59729397

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole?
The IUPAC name of 4-methoxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole (CID 174619265) is 4-methoxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole.
What is the SMILES notation for 4-methoxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole?
The canonical SMILES for 4-methoxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole is COc1coc(/C=C/c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 4-methoxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole?
The InChIKey is XVSOHDWJRBXNKC-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H10F3NO2/c1-18-12-8-19-11(17-12)7-4-9-2-5-10(6-3-9)13(14,15)16/h2-8H,1H3/b7-4+.
What are the key properties of 4-methoxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole?
4-methoxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole has a molecular weight of 269.22 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole is sourced from PubChem (CID 174619265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).